Browsing Computational Chemistry by Subject

Now showing items 1-12 of 12

Subject
A Quantum Mechanical Investigation for Sensor Applications [1]
arsenite oxidase, DFT studies, reaction mechanism [1]
Carbon Capturing Compounds [1]
Computational Study Boron-doped Zn12O12 Nanocluster [1]
DNA Binding, Benzoic acid, Spectroscopic, In-silico Evaluation [1]
Electronic and Magnetic Properties, Energy Storage, Computational Investigation [1]
Fullerene Material for Lithiumion Battery Applications. [1]
ORGANIC LIQUID CRYSTAL, QUANTUM CHEMICAL, FLEXIBLE MATERIALS [1]
Silicene, Ni-doped Silicene, Li-air Batteries, (ORR), (OER), Oxygen Adsorption, Oxygen Dissociation, HOMO-LUMO Gap [1]
single and double walled Graphene Functionalization [1]
Toxicity Prediction, Modeling Approaches, Environmental Fate Monitoring, Pesticidal Persistent Organic Pollutants (POPs) [1]
Trimethoprim Complexes, Density Functional Theory, Chemistry of Cu (II) [1]

Now showing items 1-12 of 12

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